Global ETD Search
Search theses and dissertations gathered from participating repositories worldwide. Every result links back to the library that holds it. No account is needed.
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Showing 1 to 20 of 41 for “"Energy Functions"”.
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The Energy Landscape of Associative Memory Energy Functions and Their Application to Ab Initio Protein Structure Prediction
… dependent on a few statistical properties of the energy landscape. These include the gap in energy between the native basin and the ensemble of misfolded states and the variance in energy of the unfolded states. This insight may be used to design model energy functions for ab initio prediction. In …
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Synthesis of a near-optimum finite element mesh
… displays, interactively, six different energy functions, along with the usual stress functions. The six energy functions are functions of the energy within each element of the mesh. Since it is intended to be an educational package, the post-processor does not automatically generate the …
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On deformations of compressible hyperelastic material
… and sufficient conditions on the strain-energy function for the material to admit such a deformation are obtained. These conditions are examined for several strain-energy functions and in each case complete solutions of the equilibrium equations are obtained. The predictions of the shear …
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Error Bounds Between the Minimum Distance Energy of an Equilateral Knot and the Mobius Energy of an Inscribed Smooth Knot
This thesis explores mathematical knots and energy functions defined for them. Specifically, we explore the question of whether or not the Minimum Distance Energy of an equilateral knot is close to the Mobius Energy of a smooth knot where the smooth knot is inscribed in the equilateral knot in a …
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On Motion Parameterizations in Image Sequences from Fixed Viewpoints
… in medical imagery. Specifically, we create energy functions for measuring how consistent a given velocity vector is with observed spatio-temporal image derivatives. These energy functions are used to fit parametric snake models to roads using velocity constraints. We create an automatic …
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Application of the Statistical Energy Landscape Theory to Protein Structure Prediction
… methods to narrow this gap. Using ideas from the energy landscape theory first introduced by Bryngelson and Wolynes, and database analysis, we have designed statistical mechanical energy functions for protein structure prediction by threading and simulated annealing molecular dynamics methods. …
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Exponential Decay for the Saint-Venant Principle
… principle is true for a class of stored energy functions of the type W = 1/2u('2) + Q(u(,,1),u(,,2)), where u is the displacement along the t-axis. By using the theory of stable manifolds, we also prove the existence of a mild solution for the associated traction boundary value problem in …
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Pion electromagnetic form factor in the Kroll-Lee-Zumino model at zero and finite temperature
… data. A calculation of the vertex and self energy functions in the Matsubara formalism at finite temperature do not agree with the results of the Gale & Kapusta calculations. The resulting prediction for the radius is found to increase with temperature, consistent vith ideas about haclronic …
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Quality assessment of docked protein interfaces using 3D convolution
… a large number of potential solutions, and the energy functions used in these methods are not good enough to find solutions that are close to the native state of the complex. Deep learning and its ability to model complex problems has opened up the opportunity to model protein complexes and …
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Casting Protein Structure Predictors as Energy-Based Models for Binder Design and Scoring
… work, we propose a principled alternative: an energy-based framework that directly extracts the statistical likelihood of a predicted binder–target complex from a structure predictor’s internal confidence distributions. Building on the Joint Energy-based Modeling (JEM) framework, we introduce …
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Modelizado y optimización de problemas mecánicos no lineales mediante el Método de Elementos Finitos, RSM y ML
… by a process of adjustment of different strain energy functions. The biggest drawback in this type of procedure is the impossibility of explicitly expressing force values in the energy functions. Therefore, the only possible way to carry out the characterization is the use of extensometers to …
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Mathematical Modelling of Smectic Liquid Crystals
… is predicted through the minimization of energy functions by constructing and solving the corresponding Euler-Lagrange coupled partial differential equations commonly found in mathematical physics. It is anticipated that these solutions will provide information for experimentalists …
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Continuum models for intergranular films in silicon nitride and comparison to atomistic simulations
… and the other based on bond-angle distribution functions. A coarse-graining method based on volume averaging over Voronoi tessellations is employed to continuize both structure and composition information. These fields give insight into the local atomic environment that is necessary for devising …
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Protein-DNA interaction, random walks and polymer statistics
… on DNA by proteins is central for many cellular functions such as transcription, replication, and recombination. In the process of recognition, a protein rapidly searches for its specific site on a long DNA molecule and then strongly binds this site. Earlier studies have suggested that rapid …
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Impact of stochastic loads and generations on power system transient stability
… studies is based on a deterministic transient energy function. However, such a deterministic analysis does not provide a realistic evaluation of system transient performance where the intermittency and variability of energy production associated with any renewable technology needs to be …
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Application of All-Atom and Coarse-Grained Molecular Dynamics Simulations to Long Timescale Structural Transitions of Proteins
… able to provide low-resolution data on specific functions of biomolecules, or high-resolution data on structures and other properties in states of questionable physiological relevance, but very rarely both at the same time. Molecular dynamics (MD) simulations, in contrast, offer data on the …
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Localized methods for protein interaction prediction
… from statistical interaction potentials, energy functions, correlated mutations and conserved residue pairs to predict likely interactions. The significance of predicted interactions is evaluated using the scores for randomized binding surfaces within each family. We first apply our method …
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The Emergence of Knowledge And The Benefits Of Quorum
… of knowledge with an emergence of a complex free energy landscape, where distinct patterns/memories correspond to distinct free energy minima. Conversely, the Marcus-inverted regime for the environmental degrees of freedom causes such free energy to merge and results in loss of data. We show that …
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Biological tissue mechanics with fibres modelled as one dimensional Cosserat continua: applications to cardiac tissue in healthy and diseased states
… mechanics is modelled using anisotropic strain energy functions capturing the averaged behaviour of its fibrous microstructure. The strain energy function can be derived via representation theorems for anisotropic functions where a suitable nonlinear strain tensor, e.g. the Green strain tensor, …
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Multiscale modeling of clay-water systems
… a perturbation approach to investigate the free energy associated with relative positions of two clay platelets in water. The free energy functions for edge-edge and faceface particle associations are used to calibrate the Gay-Berne (GB) potential that represents each platelet as a single-site …
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